(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)C(C)C

InChI

InChI=1S/C22H20N4O4/c1-13(2)18-10-19-16(9-21(27)30-20(19)8-14(18)3)11-29-22(28)15-4-6-17(7-5-15)26-12-23-24-25-26/h4-10,12-13H,11H2,1-3H3